#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dwm n PRO 2 N 0.00 1.27 -4.01 3.17 -0.04 -1.26 -4.93 135.00 129.21 2dwm n PRO 2 Ca 0.00 -0.91 -0.30 0.00 -0.04 0.00 0.00 63.50 62.25 2dwm n PRO 2 Cb 0.00 -1.16 -0.16 0.00 -0.04 0.00 0.00 33.50 32.13 2dwm n PRO 2 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2dwm s VAL 3 N -1.17 1.54 -0.36 0.52 1.01 -1.26 -5.09 120.40 115.60 2dwm s VAL 3 Ca 0.11 -0.63 -0.13 0.00 0.00 0.00 0.00 61.98 61.33 2dwm s VAL 3 Cb 0.09 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 35.01 2dwm s VAL 3 CO 0.20 0.43 0.24 0.00 0.00 0.00 0.00 175.10 175.98 2dwm s ALA 4 N 1.50 3.43 -0.36 5.51 0.00 -1.26 -5.04 121.76 125.53 2dwm s ALA 4 Ca 0.05 -1.54 -0.28 0.00 0.00 0.00 0.00 51.96 50.19 2dwm s ALA 4 Cb -0.13 -2.69 0.02 0.00 0.00 0.00 0.00 23.12 20.32 2dwm s ALA 4 CO -0.10 -1.17 1.02 -1.01 0.00 0.00 0.00 175.76 174.49 2dwm s HIS 5 N 1.67 3.07 -0.08 0.00 3.76 -1.26 -5.02 115.29 117.42 2dwm s HIS 5 Ca 0.05 0.95 0.00 0.00 -0.15 0.00 0.00 55.06 55.91 2dwm s HIS 5 Cb -0.18 -3.79 -0.03 0.00 1.11 0.00 0.00 32.58 29.69 2dwm s HIS 5 CO 0.09 -0.87 -0.08 0.08 -0.85 0.00 0.00 174.74 173.11 2dwm s VAL 6 N 3.71 3.59 0.19 -0.90 1.01 -1.26 -5.11 120.40 121.63 2dwm s VAL 6 Ca 0.43 -0.51 -0.07 0.00 0.00 0.00 0.00 61.98 61.83 2dwm s VAL 6 Cb -0.11 -2.48 -0.06 0.00 0.00 0.00 0.00 36.38 33.72 2dwm s VAL 6 CO 0.19 0.58 0.47 0.00 0.00 0.00 0.00 175.10 176.33 2dwm s ALA 7 N -0.52 3.68 0.00 5.51 0.00 -1.26 -5.10 121.76 124.07 2dwm s ALA 7 Ca 0.08 -0.42 -0.03 0.00 0.00 0.00 0.00 51.96 51.58 2dwm s ALA 7 Cb -0.12 -2.28 -0.01 0.00 0.00 0.00 0.00 23.12 20.71 2dwm s ALA 7 CO 0.02 0.58 0.05 -0.51 0.00 0.00 0.00 175.76 175.90 2dwm s LEU 8 N -2.76 1.87 -0.88 0.00 1.43 -1.26 -5.05 118.68 112.04 2dwm s LEU 8 Ca 0.44 -0.25 -0.17 0.00 -1.03 0.00 0.00 54.13 53.12 2dwm s LEU 8 Cb -0.12 0.34 -0.11 0.00 0.03 0.00 0.00 46.19 46.33 2dwm s LEU 8 CO 0.23 -0.26 2.01 -2.65 0.23 0.00 0.00 176.35 175.91 2dwm n PRO 9 N 1.88 1.79 -1.92 1.29 -0.02 -1.26 -4.93 135.00 131.83 2dwm n PRO 9 Ca -0.21 -1.82 -0.33 0.00 -2.02 0.00 0.00 63.50 59.12 2dwm n PRO 9 Cb 0.56 -2.84 0.02 0.00 -0.02 0.00 0.00 33.50 31.23 2dwm n PRO 9 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2dwm s VAL 10 N 4.43 3.71 1.07 -1.45 -7.23 -1.26 -5.04 120.40 114.63 2dwm s VAL 10 Ca 0.52 0.77 -0.12 0.00 -1.81 0.00 0.00 61.98 61.35 2dwm s VAL 10 Cb 0.13 -3.32 0.23 0.00 0.56 0.00 0.00 36.38 33.99 2dwm s VAL 10 CO 0.06 -0.52 1.08 -2.84 -0.31 0.00 0.00 175.10 172.57 2dwm s PRO 11 N -4.21 -0.19 0.00 4.82 0.02 -1.26 -4.99 135.00 129.19 2dwm s PRO 11 Ca 0.64 1.15 0.00 0.00 0.02 0.00 0.00 61.00 62.81 2dwm s PRO 11 Cb -0.17 -1.62 0.00 0.00 0.02 0.00 0.00 34.50 32.74 2dwm s PRO 11 CO 0.40 -3.33 0.00 -0.11 -0.33 0.00 0.00 177.00 173.63 2dwm n LEU 12 N -4.68 0.00 -4.41 -5.54 0.00 -1.26 -3.86 117.00 97.26 2dwm n LEU 12 Ca 0.07 0.00 -0.44 0.00 0.00 0.00 0.00 56.01 55.63 2dwm n LEU 12 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 43.42 43.90 2dwm n LEU 12 CO 0.54 0.00 0.39 -2.16 0.00 0.00 0.00 177.39 176.16 2dwm s PRO 13 N -0.00 3.08 -0.55 1.96 0.04 -1.26 -4.89 135.00 133.38 2dwm s PRO 13 Ca 0.00 -1.10 -0.27 0.00 0.04 0.00 0.00 61.00 59.66 2dwm s PRO 13 Cb 0.00 -4.19 -0.01 0.00 0.04 0.00 0.00 34.50 30.34 2dwm s PRO 13 CO 0.00 -1.40 1.68 -0.98 0.04 0.00 0.00 177.00 176.34 2dwm s ARG 14 N 2.71 2.99 0.45 4.56 1.70 -1.25 -4.96 118.95 125.15 2dwm s ARG 14 Ca 0.13 0.67 0.05 0.00 -0.47 0.00 0.00 55.73 56.11 2dwm s ARG 14 Cb -0.22 -4.26 -0.05 0.00 -0.57 0.00 0.00 34.95 29.86 2dwm s ARG 14 CO 0.09 -2.30 0.08 -0.08 -1.08 0.00 0.00 175.30 172.01 2dwm s THR 15 N 7.57 1.81 -0.23 4.99 -1.32 -1.26 -4.89 115.64 122.32 2dwm s THR 15 Ca 0.63 -1.89 -0.01 0.00 -1.21 0.00 0.00 61.69 59.21 2dwm s THR 15 Cb -0.14 -2.70 0.02 0.00 -1.51 0.00 0.00 72.50 68.18 2dwm s THR 15 CO 0.24 0.00 -0.11 -0.36 -2.21 0.00 0.00 174.62 172.19 2dwm s PHE 16 N -2.74 2.99 0.14 9.09 0.40 -1.26 -5.11 117.98 121.49 2dwm s PHE 16 Ca 0.28 -1.60 -0.30 0.00 -0.60 0.00 0.00 56.93 54.71 2dwm s PHE 16 Cb 0.05 -2.01 -0.07 0.00 0.51 0.00 0.00 43.02 41.51 2dwm s PHE 16 CO 0.15 -0.75 1.06 -0.51 0.70 0.00 0.00 175.22 175.87 2dwm s ASP 17 N 1.31 7.32 0.04 1.36 1.11 -1.26 -5.06 116.67 121.49 2dwm s ASP 17 Ca 0.01 1.98 0.03 0.00 0.18 0.00 0.00 52.55 54.75 2dwm s ASP 17 Cb -0.16 -2.60 -0.02 0.00 1.07 0.00 0.00 42.92 41.22 2dwm s ASP 17 CO -0.07 -0.20 -0.09 -0.31 1.18 0.00 0.00 175.17 175.68 2dwm s TYR 18 N 0.01 0.80 0.04 4.23 1.51 -1.26 -4.74 117.35 117.93 2dwm s TYR 18 Ca 0.50 -0.40 -0.19 0.00 -1.01 0.00 0.00 57.07 55.97 2dwm s TYR 18 Cb -0.27 -0.47 -0.06 0.00 -0.11 0.00 0.00 41.96 41.04 2dwm s TYR 18 CO 0.32 -0.03 0.54 -1.17 -1.11 0.00 0.00 175.55 174.11 2dwm s LEU 19 N -1.28 4.49 -0.23 -1.29 2.96 -0.60 -4.80 118.68 117.93 2dwm s LEU 19 Ca -0.05 1.18 -0.25 0.00 -0.22 0.00 0.00 54.13 54.79 2dwm s LEU 19 Cb -0.08 -2.84 -0.01 0.00 0.50 0.00 0.00 46.19 43.76 2dwm s LEU 19 CO 0.01 0.24 0.85 -0.76 -1.32 0.00 0.00 176.35 175.37 2dwm s LEU 20 N -0.87 4.10 1.18 -0.68 2.01 -1.26 -0.42 118.68 122.75 2dwm s LEU 20 Ca 0.28 1.10 -0.14 0.00 0.01 0.00 0.00 54.13 55.38 2dwm s LEU 20 Cb -0.19 -3.24 0.26 0.00 0.01 0.00 0.00 46.19 43.04 2dwm s LEU 20 CO 0.17 -0.51 0.80 -2.65 1.01 0.00 0.00 176.35 175.18 2dwm n PRO 21 N 5.89 -2.43 -1.88 1.29 -0.02 -1.26 -4.86 135.00 131.73 2dwm n PRO 21 Ca 0.06 -0.68 -0.42 0.00 -2.02 0.00 0.00 63.50 60.43 2dwm n PRO 21 Cb 0.48 -2.06 -0.03 0.00 -0.02 0.00 0.00 33.50 31.87 2dwm n PRO 21 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2dwm s GLU 22 N -4.19 4.06 0.00 -0.52 -6.30 -1.26 -2.61 118.70 107.88 2dwm s GLU 22 Ca 0.66 2.27 0.00 0.00 -2.50 0.00 0.00 54.97 55.41 2dwm s GLU 22 Cb -0.23 -4.08 0.00 0.00 0.00 0.00 0.00 34.13 29.82 2dwm s GLU 22 CO 0.66 -1.01 0.00 0.41 0.02 0.00 0.00 175.26 175.34 2dwm n GLY 23 N 4.43 1.35 3.78 -1.50 0.00 -1.26 -5.03 105.19 106.96 2dwm n GLY 23 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 2dwm n GLY 23 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2dwm s MET 24 N -0.23 4.26 -0.09 1.61 1.75 -1.07 -5.07 119.30 120.45 2dwm s MET 24 Ca 0.00 0.72 0.01 0.00 -1.25 0.00 0.00 55.69 55.17 2dwm s MET 24 Cb 0.00 -3.30 0.02 0.00 2.84 0.00 0.00 34.83 34.39 2dwm s MET 24 CO 0.00 0.48 -0.11 -0.08 -0.65 0.00 0.00 175.02 174.66 2dwm s THR 25 N -0.56 1.14 0.02 10.11 -1.32 -1.26 -4.74 115.64 119.03 2dwm s THR 25 Ca 0.30 -0.42 0.00 0.00 -1.21 0.00 0.00 61.69 60.37 2dwm s THR 25 Cb -0.19 -1.09 -0.02 0.00 -1.51 0.00 0.00 72.50 69.70 2dwm s THR 25 CO 0.18 0.37 -0.04 0.68 -2.21 0.00 0.00 174.62 173.60 2dwm s VAL 26 N 1.18 0.17 0.35 5.08 -7.23 -1.26 -5.04 120.40 113.65 2dwm s VAL 26 Ca -0.05 -0.97 0.05 0.00 -1.81 0.00 0.00 61.98 59.20 2dwm s VAL 26 Cb -0.14 -0.35 -0.07 0.00 0.56 0.00 0.00 36.38 36.38 2dwm s VAL 26 CO -0.03 -0.50 0.05 -1.59 -0.31 0.00 0.00 175.10 172.72 2dwm s LYS 27 N -1.57 1.74 0.29 4.82 -2.85 -1.26 -4.97 119.74 115.95 2dwm s LYS 27 Ca -0.14 -1.98 -0.29 0.00 -1.00 0.00 0.00 55.97 52.56 2dwm s LYS 27 Cb -0.09 -1.08 -0.13 0.00 -2.06 0.00 0.00 37.83 34.46 2dwm s LYS 27 CO -0.01 -0.16 1.22 0.00 0.10 0.00 0.00 175.35 176.50 2dwm n ALA 28 N -0.77 0.66 -0.37 0.59 0.00 -1.26 -2.81 120.51 116.54 2dwm n ALA 28 Ca -0.03 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.80 2dwm n ALA 28 Cb 0.67 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.95 2dwm n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dwm n GLY 29 N 1.28 0.80 3.65 0.00 0.00 -0.72 -4.60 105.19 105.60 2dwm n GLY 29 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 2dwm n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dwm s ARG 31 N -1.77 4.13 0.06 0.00 0.52 -1.26 -0.31 118.95 120.32 2dwm s ARG 31 Ca 0.21 0.73 -0.04 0.00 -0.52 0.00 0.00 55.73 56.11 2dwm s ARG 31 Cb -0.11 -2.81 -0.02 0.00 0.52 0.00 0.00 34.95 32.52 2dwm s ARG 31 CO 0.12 0.37 0.06 0.14 0.02 0.00 0.00 175.30 176.01 2dwm s VAL 32 N -1.59 0.18 -0.11 3.52 -7.23 0.02 -1.25 120.40 113.95 2dwm s VAL 32 Ca 0.44 -1.51 -0.10 0.00 -1.81 0.00 0.00 61.98 59.00 2dwm s VAL 32 Cb -0.15 -1.38 -0.05 0.00 0.56 0.00 0.00 36.38 35.37 2dwm s VAL 32 CO 0.20 -0.83 0.22 -0.60 -0.31 0.00 0.00 175.10 173.77 2dwm s ARG 33 N -3.73 3.75 0.06 4.82 3.52 0.20 -1.03 118.95 126.54 2dwm s ARG 33 Ca 0.05 0.01 -0.04 0.00 -0.13 0.00 0.00 55.73 55.61 2dwm s ARG 33 Cb 0.06 -3.26 -0.02 0.00 -1.56 0.00 0.00 34.95 30.17 2dwm s ARG 33 CO -0.10 0.63 0.06 0.14 -0.81 0.00 0.00 175.30 175.22 2dwm s VAL 34 N -0.67 0.18 0.78 7.11 -7.23 -0.68 -1.29 120.40 118.60 2dwm s VAL 34 Ca 0.16 -1.52 -0.12 0.00 -1.81 0.00 0.00 61.98 58.70 2dwm s VAL 34 Cb -0.13 -1.39 0.06 0.00 0.56 0.00 0.00 36.38 35.47 2dwm s VAL 34 CO 0.05 -0.84 1.12 -2.84 -0.31 0.00 0.00 175.10 172.28 2dwm s PRO 35 N -3.78 2.24 0.20 4.82 0.02 -1.26 -2.39 135.00 134.85 2dwm s PRO 35 Ca 0.05 0.44 -0.22 0.00 0.02 0.00 0.00 61.00 61.29 2dwm s PRO 35 Cb 0.06 -1.95 0.05 0.00 0.02 0.00 0.00 34.50 32.68 2dwm s PRO 35 CO -0.10 -1.47 0.63 0.12 -0.33 0.00 0.00 177.00 175.85 2dwm s PHE 36 N -3.32 -0.39 0.00 6.54 5.36 -0.96 -4.83 117.98 120.37 2dwm s PHE 36 Ca 0.60 0.09 0.00 0.00 -0.96 0.00 0.00 56.93 56.67 2dwm s PHE 36 Cb -0.13 0.59 0.00 0.00 -0.34 0.00 0.00 43.02 43.14 2dwm s PHE 36 CO 0.52 -0.97 0.00 0.41 -1.46 0.00 0.00 175.22 173.72 2dwm n GLY 37 N -0.40 0.00 0.00 13.12 0.00 -1.26 -3.93 105.19 112.72 2dwm n GLY 37 Ca -0.12 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.03 2dwm n GLY 37 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2dwm n LYS 38 N -0.47 0.59 0.00 1.61 4.81 -1.26 -4.64 118.16 118.80 2dwm n LYS 38 Ca 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 2dwm n LYS 38 Cb 0.00 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.55 2dwm n LYS 38 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2dwm n GLN 39 N -1.17 0.00 -1.83 1.64 1.13 -1.25 -5.16 117.38 110.74 2dwm n GLN 39 Ca 0.16 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.92 2dwm n GLN 39 Cb 0.17 0.00 0.04 0.00 0.11 0.00 0.00 30.24 30.56 2dwm n GLN 39 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 2dwm s GLN 40 N 0.00 3.01 0.41 -1.09 -2.07 -1.26 -4.89 119.66 113.77 2dwm s GLN 40 Ca 0.00 0.59 0.08 0.00 -1.82 0.00 0.00 55.36 54.21 2dwm s GLN 40 Cb 0.00 -2.03 -0.00 0.00 -1.09 0.00 0.00 33.01 29.89 2dwm s GLN 40 CO 0.00 -0.96 0.49 -1.21 -1.32 0.00 0.00 175.29 172.29 2dwm s GLU 41 N -5.27 2.75 0.10 9.60 2.02 -1.26 -2.26 118.70 124.37 2dwm s GLU 41 Ca 0.57 -1.33 -0.26 0.00 0.02 0.00 0.00 54.97 53.98 2dwm s GLU 41 Cb -0.12 -2.62 0.08 0.00 0.10 0.00 0.00 34.13 31.57 2dwm s GLU 41 CO 0.53 -0.21 0.83 1.03 0.02 0.00 0.00 175.26 177.46 2dwm s ARG 42 N -4.25 1.10 -0.12 1.61 0.52 -1.01 -4.93 118.95 111.87 2dwm s ARG 42 Ca 0.51 -0.49 -0.07 0.00 -0.52 0.00 0.00 55.73 55.17 2dwm s ARG 42 Cb -0.08 0.45 -0.04 0.00 0.52 0.00 0.00 34.95 35.81 2dwm s ARG 42 CO 0.31 -0.49 0.12 0.42 0.02 0.00 0.00 175.30 175.68 2dwm s ILE 43 N -3.36 5.37 0.38 1.52 1.01 -1.26 -1.69 121.20 123.17 2dwm s ILE 43 Ca 0.07 0.16 0.06 0.00 0.00 0.00 0.00 60.65 60.93 2dwm s ILE 43 Cb -0.02 -3.34 -0.02 0.00 0.01 0.00 0.00 42.46 39.09 2dwm s ILE 43 CO -0.06 0.61 0.22 -0.83 0.00 0.00 0.00 174.94 174.88 2dwm s GLY 44 N -0.92 2.54 -0.08 6.18 0.00 -0.20 -4.96 107.32 109.89 2dwm s GLY 44 Ca 0.14 -1.64 0.02 0.00 0.00 0.00 0.00 44.72 43.24 2dwm s GLY 44 CO 0.03 -1.64 -0.11 -0.42 0.00 0.00 0.00 173.10 170.96 2dwm s ILE 45 N -3.30 1.11 0.21 0.90 1.01 -1.26 -0.80 121.20 119.08 2dwm s ILE 45 Ca 0.32 -0.44 -0.30 0.00 0.00 0.00 0.00 60.65 60.23 2dwm s ILE 45 Cb 0.02 -1.04 -0.09 0.00 0.01 0.00 0.00 42.46 41.36 2dwm s ILE 45 CO 0.22 0.36 1.28 -0.69 0.00 0.00 0.00 174.94 176.11 2dwm s VAL 46 N 0.88 3.22 -0.07 2.92 1.01 0.58 -4.90 120.40 124.04 2dwm s VAL 46 Ca -0.10 1.04 0.22 0.00 0.00 0.00 0.00 61.98 63.13 2dwm s VAL 46 Cb -0.15 -3.66 -0.33 0.00 0.00 0.00 0.00 36.38 32.24 2dwm s VAL 46 CO 0.01 0.17 0.49 0.52 0.00 0.00 0.00 175.10 176.29 2dwm n VAL 47 N 2.35 0.00 0.00 2.92 0.31 -1.26 -1.76 118.33 120.89 2dwm n VAL 47 Ca 0.05 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 2dwm n VAL 47 Cb 0.43 0.05 0.00 0.00 -0.91 0.00 0.00 33.84 33.41 2dwm n VAL 47 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2dwm n SER 48 N -2.22 0.00 -3.53 4.52 3.41 -1.26 -4.83 113.62 109.71 2dwm n SER 48 Ca -0.04 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.37 2dwm n SER 48 Cb 0.55 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.36 2dwm n SER 48 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2dwm s VAL 49 N -2.00 -0.25 0.31 -3.33 1.01 -1.26 -4.93 120.40 109.95 2dwm s VAL 49 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.87 2dwm s VAL 49 Cb 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.75 2dwm s VAL 49 CO 0.00 -0.22 0.03 -1.54 0.00 0.00 0.00 175.10 173.37 2dwm n SER 50 N 5.31 2.78 -1.43 3.32 3.41 -1.26 -5.04 113.62 120.71 2dwm n SER 50 Ca -0.06 -2.34 0.10 0.00 -0.26 0.00 0.00 58.87 56.30 2dwm n SER 50 Cb 0.49 0.19 0.33 0.00 -0.26 0.00 0.00 64.21 64.96 2dwm n SER 50 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2dwm n ASP 51 N -1.26 4.22 -3.86 4.04 8.00 -1.26 -4.94 116.55 121.49 2dwm n ASP 51 Ca -0.12 -2.27 -0.11 0.00 0.71 0.00 0.00 54.79 53.00 2dwm n ASP 51 Cb 0.39 -0.53 -0.11 0.00 -0.02 0.00 0.00 41.12 40.85 2dwm n ASP 51 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dwm s ALA 52 N -1.57 -0.28 0.05 2.24 0.00 -1.26 -5.14 121.76 115.79 2dwm s ALA 52 Ca 0.47 0.05 0.06 0.00 0.00 0.00 0.00 51.96 52.55 2dwm s ALA 52 Cb 0.29 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.34 2dwm s ALA 52 CO 0.26 -0.14 -0.17 0.45 0.00 0.00 0.00 175.76 176.16 2dwm s SER 53 N -0.73 2.08 -0.22 0.00 0.15 -1.26 -5.00 113.70 108.72 2dwm s SER 53 Ca -0.08 -0.52 0.01 0.00 0.70 0.00 0.00 55.95 56.06 2dwm s SER 53 Cb -0.05 -0.14 0.24 0.00 -1.71 0.00 0.00 66.02 64.36 2dwm s SER 53 CO 0.01 0.08 1.62 -0.62 1.20 0.00 0.00 173.24 175.53 2dwm n GLU 54 N 1.74 1.59 -3.87 5.44 4.71 -1.26 -4.74 120.64 124.26 2dwm n GLU 54 Ca -0.18 -1.30 -0.11 0.00 -0.01 0.00 0.00 57.16 55.56 2dwm n GLU 54 Cb 0.54 -1.51 -0.10 0.00 -1.01 0.00 0.00 31.44 29.37 2dwm n GLU 54 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2dwm s LEU 55 N -1.46 1.53 -0.25 -4.62 1.02 -1.26 -5.12 118.68 108.52 2dwm s LEU 55 Ca 0.25 -0.24 -0.41 0.00 0.02 0.00 0.00 54.13 53.74 2dwm s LEU 55 Cb 0.20 0.72 -0.17 0.00 0.02 0.00 0.00 46.19 46.96 2dwm s LEU 55 CO 0.03 -0.40 1.59 -2.65 0.02 0.00 0.00 176.35 174.93 2dwm n PRO 56 N 1.30 0.75 0.00 1.29 -0.02 -1.26 -4.78 135.00 132.28 2dwm n PRO 56 Ca -0.22 0.28 0.01 0.00 -2.02 0.00 0.00 63.50 61.54 2dwm n PRO 56 Cb 0.56 -1.89 0.04 0.00 -0.02 0.00 0.00 33.50 32.19 2dwm n PRO 56 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2dwm n LEU 57 N 4.24 0.00 -0.12 2.45 4.32 -1.26 -0.85 117.00 125.78 2dwm n LEU 57 Ca 0.26 0.26 -0.17 0.00 -0.02 0.00 0.00 56.01 56.34 2dwm n LEU 57 Cb 0.09 -0.26 -0.13 0.00 -1.62 0.00 0.00 43.42 41.50 2dwm n LEU 57 CO 0.79 -0.24 -1.29 -3.20 -1.22 0.00 0.00 177.39 172.22 2dwm n ASN 58 N -1.26 1.61 0.00 -1.43 2.85 -1.26 -4.44 115.26 111.33 2dwm n ASN 58 Ca 0.01 -0.10 0.08 0.00 -0.11 0.00 0.00 54.58 54.46 2dwm n ASN 58 Cb 0.01 -0.16 0.49 0.00 1.24 0.00 0.00 39.78 41.36 2dwm n ASN 58 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2dwm n GLU 59 N -3.17 0.52 -4.41 1.20 2.13 -0.03 -4.79 120.64 112.09 2dwm n GLU 59 Ca -0.43 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.05 2dwm n GLU 59 Cb 1.02 -1.50 -0.11 0.00 0.27 0.00 0.00 31.44 31.12 2dwm n GLU 59 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 2dwm s LEU 60 N -2.00 3.33 1.06 4.31 2.34 -1.21 -4.99 118.68 121.52 2dwm s LEU 60 Ca 0.25 -0.06 -0.14 0.00 0.06 0.00 0.00 54.13 54.24 2dwm s LEU 60 Cb 0.11 -1.79 0.14 0.00 -0.56 0.00 0.00 46.19 44.10 2dwm s LEU 60 CO 0.19 0.23 0.54 0.29 -1.06 0.00 0.00 176.35 176.54 2dwm n LYS 61 N 3.11 -1.34 -4.36 1.48 4.01 -1.26 -4.52 118.16 115.29 2dwm n LYS 61 Ca -0.18 -0.36 -0.30 0.00 -0.51 0.00 0.00 58.31 56.97 2dwm n LYS 61 Cb 0.53 -1.96 -0.11 0.00 -0.51 0.00 0.00 35.03 32.98 2dwm n LYS 61 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2dwm s ALA 62 N -2.38 2.88 0.60 7.82 0.00 -1.26 -1.55 121.76 127.86 2dwm s ALA 62 Ca 0.61 -1.20 -0.18 0.00 0.00 0.00 0.00 51.96 51.19 2dwm s ALA 62 Cb -0.19 -0.89 -0.05 0.00 0.00 0.00 0.00 23.12 21.99 2dwm s ALA 62 CO 0.65 0.62 0.91 0.28 0.00 0.00 0.00 175.76 178.22 2dwm n VAL 63 N 1.03 3.54 -0.05 0.00 0.31 0.44 -4.55 118.33 119.04 2dwm n VAL 63 Ca -0.14 -0.50 -0.04 0.00 -0.01 0.00 0.00 64.34 63.65 2dwm n VAL 63 Cb 0.52 -1.09 -0.01 0.00 -0.91 0.00 0.00 33.84 32.35 2dwm n VAL 63 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2dwm n VAL 64 N -1.74 0.97 -3.74 2.52 0.31 -0.41 -4.73 118.33 111.51 2dwm n VAL 64 Ca 0.14 0.30 -0.10 0.00 -0.01 0.00 0.00 64.34 64.66 2dwm n VAL 64 Cb 0.47 -2.10 -0.06 0.00 -0.91 0.00 0.00 33.84 31.24 2dwm n VAL 64 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2dwm s GLU 65 N -1.96 0.91 -0.25 5.55 -1.05 -1.21 -4.97 118.70 115.73 2dwm s GLU 65 Ca -0.12 -0.70 -0.05 0.00 -0.15 0.00 0.00 54.97 53.95 2dwm s GLU 65 Cb 0.02 0.39 -0.00 0.00 -0.44 0.00 0.00 34.13 34.10 2dwm s GLU 65 CO 0.18 -0.32 0.00 0.54 0.95 0.00 0.00 175.26 176.62 2dwm s VAL 66 N -3.35 3.59 -0.23 1.83 0.11 -1.26 0.61 120.40 121.70 2dwm s VAL 66 Ca 0.01 -0.57 0.28 0.00 -2.93 0.00 0.00 61.98 58.77 2dwm s VAL 66 Cb 0.02 -2.72 0.34 0.00 -1.53 0.00 0.00 36.38 32.48 2dwm s VAL 66 CO -0.08 0.29 1.83 -0.07 -3.33 0.00 0.00 175.10 173.74 2dwm h LEU 67 N 8.15 0.00 -8.64 2.54 3.38 -1.52 -3.45 115.31 115.78 2dwm h LEU 67 Ca -0.37 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 56.90 2dwm h LEU 67 Cb 1.15 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.60 2dwm h LEU 67 CO 0.60 0.00 -0.87 -1.81 0.09 0.00 0.00 178.44 176.44 2dwm s ASP 68 N -5.36 3.19 0.04 -0.43 1.01 -1.22 -4.95 116.67 108.95 2dwm s ASP 68 Ca 0.04 -0.44 0.20 0.00 0.71 0.00 0.00 52.55 53.07 2dwm s ASP 68 Cb 0.09 -0.48 -0.18 0.00 1.01 0.00 0.00 42.92 43.36 2dwm s ASP 68 CO 0.54 0.31 0.67 -1.20 0.21 0.00 0.00 175.17 175.71 2dwm n SER 69 N 2.49 0.46 -3.91 0.27 7.64 -1.26 -4.83 113.62 114.48 2dwm n SER 69 Ca -0.16 0.19 -0.10 0.00 1.01 0.00 0.00 58.87 59.81 2dwm n SER 69 Cb 0.51 0.95 -0.10 0.00 -1.01 0.00 0.00 64.21 64.57 2dwm n SER 69 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2dwm s GLU 70 N -3.18 0.53 -0.30 1.43 -1.05 -1.26 -4.98 118.70 109.90 2dwm s GLU 70 Ca -0.05 -0.61 -0.38 0.00 -0.15 0.00 0.00 54.97 53.78 2dwm s GLU 70 Cb 0.10 0.21 -0.14 0.00 -0.44 0.00 0.00 34.13 33.87 2dwm s GLU 70 CO 0.84 -0.13 1.95 -2.30 0.95 0.00 0.00 175.26 176.58 2dwm n PRO 71 N 1.07 1.17 0.28 -4.83 -0.02 -1.26 -4.85 135.00 126.56 2dwm n PRO 71 Ca -0.21 0.39 0.19 0.00 -2.02 0.00 0.00 63.50 61.85 2dwm n PRO 71 Cb 0.57 -2.26 0.98 0.00 -0.02 0.00 0.00 33.50 32.77 2dwm n PRO 71 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2dwm h VAL 72 N 6.08 0.00 -2.52 -1.45 3.04 -1.84 -3.42 116.25 116.14 2dwm h VAL 72 Ca -0.37 -0.06 -0.54 0.00 -1.01 0.00 0.00 66.70 64.72 2dwm h VAL 72 Cb 1.32 0.91 -0.05 0.00 -2.01 0.00 0.00 31.29 31.46 2dwm h VAL 72 CO 0.99 0.00 -0.53 -0.36 -1.01 0.00 0.00 177.57 176.66 2dwm s PHE 73 N -3.91 3.22 0.29 3.17 0.40 -1.26 -5.01 117.98 114.88 2dwm s PHE 73 Ca -0.03 -0.02 -0.20 0.00 -0.60 0.00 0.00 56.93 56.08 2dwm s PHE 73 Cb 0.11 -1.52 -0.09 0.00 0.51 0.00 0.00 43.02 42.03 2dwm s PHE 73 CO 0.36 0.51 0.81 0.99 0.70 0.00 0.00 175.22 178.59 2dwm s THR 74 N -1.86 4.49 0.37 0.64 2.01 -1.26 -4.86 115.64 115.17 2dwm s THR 74 Ca 0.32 1.36 0.17 0.00 0.31 0.00 0.00 61.69 63.85 2dwm s THR 74 Cb -0.10 -3.80 0.37 0.00 0.01 0.00 0.00 72.50 68.98 2dwm s THR 74 CO 0.25 0.04 1.73 -0.74 -0.69 0.00 0.00 174.62 175.20 2dwm h HIS 75 N 2.90 0.78 0.01 4.92 2.76 -1.99 0.28 115.15 124.82 2dwm h HIS 75 Ca -0.48 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 57.72 2dwm h HIS 75 Cb 1.19 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.93 2dwm h HIS 75 CO 0.63 0.00 -0.00 0.66 -1.30 0.00 0.00 177.93 177.91 2dwm h SER 76 N 0.40 -0.01 -0.86 3.26 4.64 -1.99 -2.48 113.55 116.51 2dwm h SER 76 Ca 0.65 -0.79 0.19 0.00 -0.47 0.00 0.00 61.79 61.37 2dwm h SER 76 Cb 1.57 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.55 2dwm h SER 76 CO -0.40 0.82 0.39 0.58 -0.87 0.00 0.00 176.83 177.34 2dwm h VAL 77 N -0.87 0.56 0.90 0.95 2.07 -1.63 0.31 116.25 118.54 2dwm h VAL 77 Ca -0.00 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 2dwm h VAL 77 Cb 0.81 0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.65 2dwm h VAL 77 CO 0.00 0.08 -0.43 -0.25 0.02 0.00 0.00 177.57 177.00 2dwm h TRP 78 N 0.46 -1.12 -1.04 1.57 2.91 -0.52 -0.20 115.95 118.01 2dwm h TRP 78 Ca 0.51 -0.03 0.28 0.00 1.13 0.00 0.00 58.89 60.79 2dwm h TRP 78 Cb 0.90 0.37 -0.12 0.00 -0.51 0.00 0.00 29.16 29.80 2dwm h TRP 78 CO -0.13 -0.69 0.64 -0.09 -1.03 0.00 0.00 178.44 177.13 2dwm h ARG 79 N -1.21 0.42 -0.11 2.65 2.43 -0.73 -0.93 114.38 116.90 2dwm h ARG 79 Ca -0.12 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 58.99 2dwm h ARG 79 Cb 0.92 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.37 2dwm h ARG 79 CO 0.20 0.28 -0.04 1.25 -1.51 0.00 0.00 179.97 180.15 2dwm h LEU 80 N 0.43 0.22 -0.01 3.80 7.12 -0.43 -2.35 115.31 124.09 2dwm h LEU 80 Ca 0.66 -0.39 -0.00 0.00 0.13 0.00 0.00 57.88 58.28 2dwm h LEU 80 Cb 1.51 -0.06 -0.00 0.00 -0.53 0.00 0.00 40.66 41.58 2dwm h LEU 80 CO -0.44 0.56 0.00 -0.07 -0.13 0.00 0.00 178.44 178.37 2dwm h LEU 81 N -0.12 0.01 -1.45 2.25 3.38 0.16 0.41 115.31 119.95 2dwm h LEU 81 Ca 0.03 -0.15 0.09 0.00 0.09 0.00 0.00 57.88 57.94 2dwm h LEU 81 Cb 0.47 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 2dwm h LEU 81 CO 0.01 0.15 0.47 -0.07 0.09 0.00 0.00 178.44 179.10 2dwm h LEU 82 N -0.13 0.56 0.28 1.67 -0.00 -1.27 0.19 115.31 116.60 2dwm h LEU 82 Ca 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.88 2dwm h LEU 82 Cb 0.15 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 40.70 2dwm h LEU 82 CO -0.00 0.34 -0.13 -0.25 -0.00 0.00 0.00 178.44 178.40 2dwm h TRP 83 N 0.62 -0.35 -0.85 1.13 7.01 -0.93 -2.76 115.95 119.83 2dwm h TRP 83 Ca 0.32 -0.01 0.21 0.00 2.11 0.00 0.00 58.89 61.52 2dwm h TRP 83 Cb 0.44 0.11 -0.16 0.00 -2.10 0.00 0.00 29.16 27.46 2dwm h TRP 83 CO -0.00 -0.21 -0.08 0.00 -2.79 0.00 0.00 178.44 175.36 2dwm n ALA 84 N -2.43 0.34 0.10 2.65 0.00 0.14 0.18 120.51 121.49 2dwm n ALA 84 Ca -0.05 0.92 0.03 0.00 0.00 0.00 0.00 53.44 54.34 2dwm n ALA 84 Cb 0.15 -0.62 0.41 0.00 0.00 0.00 0.00 19.45 19.38 2dwm n ALA 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dwm h ALA 85 N 1.70 1.56 0.03 0.00 0.00 -0.64 -1.84 119.26 120.06 2dwm h ALA 85 Ca 0.47 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 55.07 2dwm h ALA 85 Cb 0.88 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2dwm h ALA 85 CO -0.83 0.32 -0.78 0.22 0.00 0.00 0.00 179.25 178.18 2dwm h ASP 86 N 0.29 0.10 -0.86 0.00 1.82 0.23 -0.34 116.42 117.65 2dwm h ASP 86 Ca 0.06 -0.78 0.03 0.00 -0.39 0.00 0.00 57.03 55.95 2dwm h ASP 86 Cb 0.27 -0.03 -0.05 0.00 0.68 0.00 0.00 39.33 40.20 2dwm h ASP 86 CO 0.01 1.32 0.56 0.22 -1.61 0.00 0.00 179.24 179.74 2dwm h TYR 87 N -0.84 1.05 -0.40 0.28 3.20 -0.90 -2.79 116.97 116.57 2dwm h TYR 87 Ca -0.20 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.70 2dwm h TYR 87 Cb 1.29 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 39.21 2dwm h TYR 87 CO 0.18 0.61 0.00 0.66 -1.64 0.00 0.00 178.16 177.97 2dwm n TYR 88 N -4.54 0.52 -3.63 -3.82 0.53 -0.70 -4.97 117.16 100.56 2dwm n TYR 88 Ca 0.10 -0.26 -0.26 0.00 -1.02 0.00 0.00 57.90 56.46 2dwm n TYR 88 Cb 0.08 0.00 0.04 0.00 -1.03 0.00 0.00 39.34 38.43 2dwm n TYR 88 CO 0.00 0.00 0.00 0.72 -1.02 0.00 0.00 176.86 176.56 2dwm n HIS 89 N 1.03 -1.99 -5.28 -0.72 8.25 -1.05 -5.01 115.22 110.45 2dwm n HIS 89 Ca 0.18 0.62 -0.31 0.00 -0.26 0.00 0.00 57.72 57.95 2dwm n HIS 89 Cb 0.47 -3.77 -0.16 0.00 1.12 0.00 0.00 29.99 27.65 2dwm n HIS 89 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2dwm s HIS 90 N -3.53 2.32 -0.08 4.41 3.76 -0.15 -5.04 115.29 116.98 2dwm s HIS 90 Ca 0.35 -0.51 -0.38 0.00 -0.15 0.00 0.00 55.06 54.37 2dwm s HIS 90 Cb -0.11 -1.50 -0.15 0.00 1.11 0.00 0.00 32.58 31.93 2dwm s HIS 90 CO 0.83 -0.09 1.61 -2.30 -0.85 0.00 0.00 174.74 173.94 2dwm n PRO 91 N 2.59 1.39 -0.28 8.40 -0.02 -1.26 -4.60 135.00 141.22 2dwm n PRO 91 Ca -0.16 0.51 0.06 0.00 -2.02 0.00 0.00 63.50 61.89 2dwm n PRO 91 Cb 0.51 -2.21 0.21 0.00 -0.02 0.00 0.00 33.50 32.00 2dwm n PRO 91 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2dwm h ILE 92 N 4.44 0.69 -0.60 4.25 6.09 -1.90 0.64 117.51 131.12 2dwm h ILE 92 Ca -0.47 -0.18 -0.03 0.00 -1.37 0.00 0.00 64.86 62.81 2dwm h ILE 92 Cb 1.31 0.11 -0.03 0.00 0.47 0.00 0.00 36.82 38.68 2dwm h ILE 92 CO 0.89 0.10 0.27 1.23 -3.07 0.00 0.00 178.15 177.57 2dwm h GLY 93 N 0.54 0.92 0.71 8.18 0.00 -1.90 -1.24 103.07 110.27 2dwm h GLY 93 Ca 0.44 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 2dwm h GLY 93 CO -0.39 0.42 -0.06 -1.80 0.00 0.00 0.00 176.54 174.71 2dwm h ASP 94 N 0.85 -0.15 0.33 0.19 -0.00 -1.27 -2.87 116.42 113.50 2dwm h ASP 94 Ca 0.21 -0.24 -0.00 0.00 -0.00 0.00 0.00 57.03 57.00 2dwm h ASP 94 Cb 0.12 0.04 -0.02 0.00 -0.00 0.00 0.00 39.33 39.47 2dwm h ASP 94 CO -0.02 0.16 -0.31 0.58 -0.00 0.00 0.00 179.24 179.65 2dwm h VAL 95 N -0.48 0.35 -0.05 2.25 2.07 -0.98 -1.57 116.25 117.84 2dwm h VAL 95 Ca -0.02 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.54 2dwm h VAL 95 Cb 0.38 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 2dwm h VAL 95 CO 0.03 0.00 -0.28 -0.07 0.02 0.00 0.00 177.57 177.27 2dwm h LEU 96 N -0.67 -0.85 -0.77 2.57 3.38 -1.31 -1.42 115.31 116.24 2dwm h LEU 96 Ca -0.02 0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.94 2dwm h LEU 96 Cb 0.60 0.36 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 2dwm h LEU 96 CO -0.05 -0.34 -0.61 -0.26 0.09 0.00 0.00 178.44 177.27 2dwm h PHE 97 N -0.40 0.05 -0.01 1.13 -1.00 -1.48 -1.22 116.94 114.01 2dwm h PHE 97 Ca 0.08 -0.02 -0.19 0.00 2.81 0.00 0.00 57.97 60.64 2dwm h PHE 97 Cb 0.51 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.05 2dwm h PHE 97 CO -0.34 0.64 -0.84 0.45 -1.61 0.00 0.00 178.31 176.61 2dwm h HIS 98 N 0.03 0.34 -0.00 -0.55 3.86 -1.18 -3.23 115.15 114.42 2dwm h HIS 98 Ca -0.01 -0.18 -0.16 0.00 -1.16 0.00 0.00 60.37 58.86 2dwm h HIS 98 Cb 1.08 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 29.48 2dwm h HIS 98 CO 0.00 0.97 -0.76 0.00 0.86 0.00 0.00 177.93 179.00 2dwm h ALA 99 N 0.97 0.74 -0.28 2.45 0.00 -1.16 -3.36 119.26 118.62 2dwm h ALA 99 Ca -0.04 -0.69 0.05 0.00 0.00 0.00 0.00 54.91 54.23 2dwm h ALA 99 Cb 1.45 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 19.05 2dwm h ALA 99 CO 0.13 0.94 -0.51 1.25 0.00 0.00 0.00 179.25 181.06 2dwm h LEU 100 N 0.01 -1.65 -1.04 0.00 5.85 -1.24 0.60 115.31 117.85 2dwm h LEU 100 Ca -0.01 0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.93 2dwm h LEU 100 Cb 1.34 0.67 0.00 0.00 0.37 0.00 0.00 40.66 43.05 2dwm h LEU 100 CO 0.10 -0.43 0.00 -2.65 -0.34 0.00 0.00 178.44 175.12 2dwm n PRO 101 N -5.41 0.14 -0.10 5.25 -0.02 -1.26 -1.29 135.00 132.32 2dwm n PRO 101 Ca -0.04 0.54 -0.21 0.00 -2.02 0.00 0.00 63.50 61.77 2dwm n PRO 101 Cb 0.36 -1.88 -0.12 0.00 -0.02 0.00 0.00 33.50 31.84 2dwm n PRO 101 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2dwm n ILE 102 N -2.17 1.57 -0.17 4.25 5.41 -0.15 -4.35 119.36 123.75 2dwm n ILE 102 Ca 0.00 -0.51 -0.09 0.00 1.00 0.00 0.00 62.75 63.15 2dwm n ILE 102 Cb 0.10 -1.64 0.01 0.00 -0.71 0.00 0.00 39.64 37.40 2dwm n ILE 102 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 2dwm h LEU 103 N -0.27 0.78 -8.14 1.39 7.12 0.36 -3.37 115.31 113.18 2dwm h LEU 103 Ca -0.55 -0.25 -0.47 0.00 0.13 0.00 0.00 57.88 56.74 2dwm h LEU 103 Cb 1.82 -0.21 -0.08 0.00 -0.53 0.00 0.00 40.66 41.67 2dwm h LEU 103 CO -0.12 0.84 1.21 -0.76 -0.13 0.00 0.00 178.44 179.47 2dwm s LEU 104 N -9.54 3.36 0.00 2.25 1.43 -0.41 -5.09 118.68 110.68 2dwm s LEU 104 Ca -0.13 -1.20 0.00 0.00 -1.03 0.00 0.00 54.13 51.77 2dwm s LEU 104 Cb 0.11 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.77 2dwm s LEU 104 CO 0.80 -2.06 0.00 0.54 0.23 0.00 0.00 176.35 175.86